Geometry & MOs

Info

ID:	50987
PubChem CID:	12013593
Reduced:	N2H8C11 (3)
Stoich.:	A2B8C11 (3)
Weight, g/mol:	288.104482
ΔH_f, kcal/mol:	177.07
Dipole, Da:	1.1
IP(EA), eV:	-8.51(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-benzylideneamino]-1,3-dimethyl-5-methylsulfanylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)NC3=NC(=NC(=N3)NC4=CC5=CC=CC=C5C=C4)NC6=CC7=CC=CC=C7C=C6

DOS

IR

Vibrations